Pb2O2F3
Alexandria ALEXAlex-ID: agm005555352 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_243_spg12
Pb(OF)2 PbO2 PbF2
2023-06-12 04:58:52.385983
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005555352).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005555352
data_agm005555352
_cell_length_a 3.77761
_cell_length_b 4.07374
_cell_length_c 7.00195
_cell_angle_alpha 71.85336
_cell_angle_beta 74.35098
_cell_angle_gamma 62.37280
_cell_volume 89.70856
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb1 Pb 0.20983 0.80503 0.77500 1.00000
Pb2 Pb 0.79017 0.19497 0.22500 1.00000
O1 O 0.12354 0.57787 0.17564 1.00000
O2 O 0.87646 0.42213 0.82436 1.00000
F1 F 0.50000 0.00000 0.00000 1.00000
F2 F 0.36321 0.85676 0.41707 1.00000
F3 F 0.63679 0.14324 0.58293 1.00000
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